2025-01-25_00000230
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ligand
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9F2X
Crystal structure of SARS-CoV-2 Mpro in complex with RHTCR03;
X-ray diffraction 1.90Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1H9D
InChI=1S/C23H34N6O7/c1-23(2,3)36-22(35)28-18-21(34)29(9-8-25-18)15(10-12-4-5-12)20(33)27-14(16(30)17(24)31)11-13-6-7-26-19(13)32/h8-9,12-16,30H,4-7,10-11H2,1-3H3,(H2,24,31)(H,26,32)(H,27,33)(H,25,28,35)/t13-,14?,15-,16+/m0/s1
InChI=1S/C23H34N6O7/c1-23(2,3)36-22(35)28-18-21(34)29(9-8-25-18)15(10-12-4-5-12)20(33)27-14(16(30)17(24)31)11-13-6-7-26-19(13)32/h8-9,12-16,30H,4-7,10-11H2,1-3H3,(H2,24,31)(H,26,32)(H,27,33)(H,25,28,35)/t13-,14?,15-,16+/m0/s1
SMILES: CC(C)(C)OC(=O)NC1=NC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O
CC(C)(C)OC(=O)NC1=NC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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